SCHEMBL7125741

SCHEMBL7125741

O=C(c1ccccc1Cl)C1CCN(S(=O)(=O)c2[c]cccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.42
FAAH O00519 5/20 0.42
HSD11B1 P28845 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6003121 0.73 TSHR (0.53) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL3982616 0.73 TSHR (0.48) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL6140950 0.72 CES2 (0.58) MGLLALDH1A1RAB9AHSD11B1KDM2B
SCHEMBL11190518 0.72 KMT2A (0.54) MGLLALDH1A1RAB9AHSD11B1KDM2B
SCHEMBL6749308 0.72 KDM4E (0.61) ALDH1A1HSD11B1MEN1KMT2AL3MBTL1
SCHEMBL5146481 0.72 TSHR (0.56) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL14811388 0.71 MEN1 (0.58) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL6749559 0.71 KDM4E (0.63) ALDH1A1HSD11B1MEN1KMT2AL3MBTL1
SCHEMBL14811167 0.70 KMT2A (0.46) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7077511 0.70 HDAC3 (0.54) LMNAALDH1A1FAAHMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed